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2-p-Nitrobenzoyl-1,3,5-tribenzyl-.alpha.-D-ribose
SpectraBase Compound ID LROg5BpZhgy
InChI InChI=1S/C33H31NO8/c35-32(27-16-18-28(19-17-27)34(36)37)42-31-30(39-21-25-12-6-2-7-13-25)29(23-38-20-24-10-4-1-5-11-24)41-33(31)40-22-26-14-8-3-9-15-26/h1-19,29-31,33H,20-23H2
InChIKey JQCLXUDFUALGCP-UHFFFAOYSA-N
Mol Weight 569.6 g/mol
Molecular Formula C33H31NO8
Exact Mass 569.204967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nqUOPo6znw
Name 2-p-Nitrobenzoyl-1,3,5-tribenzyl-.alpha.-D-ribose
Comments Computed using HOSE algorithm
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Exact Mass 569.204966954 u
Formula C33H31NO8
InChI InChI=1S/C33H31NO8/c35-32(27-16-18-28(19-17-27)34(36)37)42-31-30(39-21-25-12-6-2-7-13-25)29(23-38-20-24-10-4-1-5-11-24)41-33(31)40-22-26-14-8-3-9-15-26/h1-19,29-31,33H,20-23H2
InChIKey JQCLXUDFUALGCP-UHFFFAOYSA-N
Molecular Weight 569.610 g/mol
SMILES C1(C(C(COCC2=CC=CC=C2)OC1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(C1=CC=C(C=C1)N(=O)=O)=O